UCSF

ZINC43460865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 2.54 -53.27 5 5 1 89 334.197 3
Hi High (pH 8-9.5) 0.40 2.25 -10.76 4 5 0 88 333.189 3
Mid Mid (pH 6-8) 0.40 2.17 -35.14 4 5 0 88 333.189 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )